SCHEMBL4130804

SCHEMBL4130804

O=C(O)NCCc1cc(-c2cccnc2F)c(Sc2nccs2)s1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGAM O43451 6/20 0.35
GAA P10253 6/20 0.35
SI P14410 6/20 0.35
MGAM2 Q2M2H8 6/20 0.35
NPC1 O15118 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34
RAB9A P51151 1/20 0.34
ADAM17 P78536 1/20 0.33
DYRK1A Q13627 1/20 0.33
COPS5 Q92905 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GSK3B P49841 1/20 0.31
TP53 P04637 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4131197 0.85 DYRK1A (0.33) DYRK1AGSK3B
SCHEMBL4119129 0.85 DYRK1A (0.33) GAASMN1; SMN2RAB9ADYRK1AGSK3B
SCHEMBL3799055 0.85 ALDH1A1 (0.36) GAANPC1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL4132224 0.83 DYRK1A (0.34) DYRK1AGSK3B
SCHEMBL4135881 0.82 ICAM1 (0.35) GAANPC1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL4119019 0.82 LIPG (0.33) DYRK1AGSK3B
SCHEMBL4125114 0.82 NPC1 (0.32) NPC1RAB9ADYRK1AMEN1KMT2A
SCHEMBL4130796 0.81 MGAM (0.36) MGAMGAASIMGAM2L3MBTL1
SCHEMBL4130279 0.81 MAPT (0.37) NPC1SMN1; SMN2KDM4ERAB9AADAM17
SCHEMBL3652325 0.81 NPC1 (0.34) NPC1SMN1; SMN2KDM4ERAB9ADYRK1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 MGAM 1183/4885GAA 7/4885SI 127/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.